About 5-[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[2-(4,4-difluorocyclohexyl)-3-(2-methoxyethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[2-(oxan-3-ylmethyl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;5-[3-[(2S)-2-ethoxypropyl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[3-(2-methoxyethyl)-2-(oxan-3-ylmethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;sulfane
5-[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[2-(4,4-difluorocyclohexyl)-3-(2-methoxyethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[2-(oxan-3-ylmethyl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;5-[3-[(2S)-2-ethoxypropyl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[3-(2-methoxyethyl)-2-(oxan-3-ylmethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;sulfane (PubChem CID 159714615) has the molecular formula C137H163F11N18O16S
and a molecular weight of 2558.97 g/mol. Its IUPAC name is 5-[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[2-(4,4-difluorocyclohexyl)-3-(2-methoxyethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[2-(oxan-3-ylmethyl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;5-[3-[(2S)-2-ethoxypropyl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[3-(2-methoxyethyl)-2-(oxan-3-ylmethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;sulfane.
Frequently Asked Questions
What is the IUPAC name of 5-[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[2-(4,4-difluorocyclohexyl)-3-(2-methoxyethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[2-(oxan-3-ylmethyl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;5-[3-[(2S)-2-ethoxypropyl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[3-(2-methoxyethyl)-2-(oxan-3-ylmethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;sulfane?
The IUPAC name of 5-[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[2-(4,4-difluorocyclohexyl)-3-(2-methoxyethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[2-(oxan-3-ylmethyl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;5-[3-[(2S)-2-ethoxypropyl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[3-(2-methoxyethyl)-2-(oxan-3-ylmethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;sulfane (CID 159714615) is 5-[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[2-(4,4-difluorocyclohexyl)-3-(2-methoxyethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[2-(oxan-3-ylmethyl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;5-[3-[(2S)-2-ethoxypropyl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[3-(2-methoxyethyl)-2-(oxan-3-ylmethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;sulfane.
What is the SMILES notation for 5-[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[2-(4,4-difluorocyclohexyl)-3-(2-methoxyethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[2-(oxan-3-ylmethyl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;5-[3-[(2S)-2-ethoxypropyl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[3-(2-methoxyethyl)-2-(oxan-3-ylmethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;sulfane?
The canonical SMILES for 5-[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[2-(4,4-difluorocyclohexyl)-3-(2-methoxyethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[2-(oxan-3-ylmethyl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;5-[3-[(2S)-2-ethoxypropyl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[3-(2-methoxyethyl)-2-(oxan-3-ylmethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;sulfane is CCO[C@@H](C)Cn1c(C2CCOCC2)nc2ccc(-c3cc(C)c(=O)n(C)c3)cc21.COCCn1c(C2CCC(F)(F)CC2)nc2ccc(-c3cc(C)c(=O)n(C)c3)cc21.COCCn1c(CC2CCCOC2)nc2ccc(-c3cc(C)c(=O)n(C)c3)cc21.Cc1cc(-c2ccc3nc(C4CC4)n(CCOCC(F)(F)F)c3c2)cn(C)c1=O.Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOCC(F)(F)F)c3c2)cn(C)c1=O.Cc1cc(-c2ccc3nc(CC4CCCOC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O.S.
What is the InChIKey of 5-[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[2-(4,4-difluorocyclohexyl)-3-(2-methoxyethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[2-(oxan-3-ylmethyl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;5-[3-[(2S)-2-ethoxypropyl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[3-(2-methoxyethyl)-2-(oxan-3-ylmethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;sulfane?
The InChIKey is MZGSKDSXOUBWPQ-RZSSRHINSA-N. The full InChI is InChI=1S/C24H31N3O3.2C23H26F3N3O3.C23H27F2N3O2.C23H29N3O3.C21H22F3N3O2.H2S/c1-5-30-17(3)14-27-22-13-19(20-12-16(2)24(28)26(4)15-20)6-7-21(22)25-23(27)18-8-10-29-11-9-18;1-15-11-18(13-28(2)22(15)30)17-3-4-19-20(12-17)29(7-10-32-14-23(24,25)26)21(27-19)16-5-8-31-9-6-16;1-15-10-18(13-28(2)22(15)30)17-5-6-19-20(12-17)29(7-9-32-23(24,25)26)21(27-19)11-16-4-3-8-31-14-16;1-15-12-18(14-27(2)22(15)29)17-4-5-19-20(13-17)28(10-11-30-3)21(26-19)16-6-8-23(24,25)9-7-16;1-16-11-19(14-25(2)23(16)27)18-6-7-20-21(13-18)26(8-10-28-3)22(24-20)12-17-5-4-9-29-15-17;1-13-9-16(11-26(2)20(13)28)15-5-6-17-18(10-15)27(19(25-17)14-3-4-14)7-8-29-12-21(22,23)24;/h6-7,12-13,15,17-18H,5,8-11,14H2,1-4H3;3-4,11-13,16H,5-10,14H2,1-2H3;5-6,10,12-13,16H,3-4,7-9,11,14H2,1-2H3;4-5,12-14,16H,6-11H2,1-3H3;6-7,11,13-14,17H,4-5,8-10,12,15H2,1-3H3;5-6,9-11,14H,3-4,7-8,12H2,1-2H3;1H2/t17-;;;;;;/m0....../s1.
What are the key properties of 5-[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[2-(4,4-difluorocyclohexyl)-3-(2-methoxyethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[2-(oxan-3-ylmethyl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;5-[3-[(2S)-2-ethoxypropyl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[3-(2-methoxyethyl)-2-(oxan-3-ylmethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;sulfane?
5-[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[2-(4,4-difluorocyclohexyl)-3-(2-methoxyethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[2-(oxan-3-ylmethyl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;5-[3-[(2S)-2-ethoxypropyl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[3-(2-methoxyethyl)-2-(oxan-3-ylmethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;sulfane has a molecular weight of 2558.97 g/mol, XLogP of 24.68, 35 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[2-(4,4-difluorocyclohexyl)-3-(2-methoxyethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[2-(oxan-3-ylmethyl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;5-[3-[(2S)-2-ethoxypropyl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[3-(2-methoxyethyl)-2-(oxan-3-ylmethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;sulfane is sourced from PubChem (CID 159714615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).